XYZ | |||||||||||||||||||||||||||||||
XYZ Coordinates of the center of the sphere
| This optional keyword expects precisely 3 reals. Default unit: [angstrom]. | ATOM_LIST |
| ATOM_LIST | Defines a list of atoms to define the center of the sphere
| This optional keyword expects a list of integers | WEIGHT |
| WEIGHT (UNIT|MASS)
| Defines the weight used to define the center of the sphere (if ATOM_LIST is provided)
| This optional keyword expects a keyword. Default value: UNIT
| valid keywords: UNIT, MASS | FIXED |
| FIXED | Specify if the center of the sphere should be fixed or allowed to move
| This optional keyword expects a logical. Default value: T
| |